SCHEMBL28099989

SCHEMBL28099989

CCCCC(C)c1cccc(C(C)CCCC)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
POLB P06746 1/20 0.41
RIPK1 Q13546 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.37
TAAR1 Q96RJ0 2/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28832558 0.87 HDAC4 (0.37) HDAC4HDAC2HDAC8POLBRIPK1
SCHEMBL21124173 0.87 TSHR (0.44) HDAC4HDAC2HDAC8POLBKDM4E
SCHEMBL14640343 0.87 OPRM1 (0.49) ALDH1A1OPRM1OPRD1OPRK1OPRL1
SCHEMBL9285009 0.87 OPRM1 (0.43) HDAC4HDAC2HDAC8OPRM1OPRD1
SCHEMBL9233930 0.87 OPRM1 (0.43) HDAC4HDAC2HDAC8OPRM1OPRD1
SCHEMBL27494967 0.86 HDAC4 (0.44) HDAC4HDAC2HDAC8RIPK1KDM4E
SCHEMBL190051 0.84 RIPK1 (0.55) POLBRIPK1KDM4EALDH1A1TAAR1
SCHEMBL14441698 0.84 CASR (0.47) TAAR1
Ammonia Solution, Strong SCHEMBL6014509 0.83 RIPK1 (0.53) POLBRIPK1KDM4EALDH1A1TAAR1
Iodide SCHEMBL8983493 0.83 RIPK1 (0.53) POLBRIPK1KDM4EALDH1A1TAAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103619987-B Color converter 巴斯夫欧洲公司 2016-11-16 CN disclosed